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Simint
Jul 20, 2023
Obara-Saika (OS) method of calculating electron repulsion integrals
Simint is a vectorized implementation of the Obara-Saika OS method of calculating electron repulsion integrals. Speedup is gained by vectorizing the primitive loop of the OS algorithm, with additional vectorization and optimizations left to the compiler.
Simint is intended to be used for quantum chemistry computations.
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